 | | 2TN | | Name: | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | | Formula: | C14 H22 N2 O3 | | SMILES: | O=C(N)Cc1ccc(OCC(O)CNC(C)C)cc1 | | InChi: | InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m1/s1 | | Synonyms: | ATENOLOL | | Definition date: | 2006-11-16 | | Last modified: | 2021-03-01 | | Identifier: | 2-[4-({(2R)-2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]acetamide |
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 | | 2TS | | Name: | (2S)-N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2R)-5-carbamimidamido-2-(phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide | | Formula: | C26 H36 Cl N7 O4 S | | SMILES: | O=C(NCc1cc(Cl)ccc1CN)C3N(C(=O)C(NS(=O)(=O)Cc2ccccc2)CCCNC(=[N@H])N)CCC3 | | InChi: | InChI=1S/C26H36ClN7O4S/c27-21-11-10-19(15-28)20(14-21)16-32-24(35)23-9-5-13-34(23)25(36)22(8-4-12-31-26(29)30)33-39(37,38)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,14,22-23,33H,4-5,8-9,12-13,15-17,28H2,(H,32,35)(H4,29,30,31)/t22-,23+/m1/s1 | | Synonyms: | (S)-1-((R)-5-Guanidino-2-phenylmethanesulfonylamino-pentanoyl)-pyrrolidine-2-carboxylic acid 2aminomethyl-5-chloro-benzylamide | | Definition date: | 2008-10-01 | | Last modified: | 2021-03-01 | | Identifier: | N~2~-(benzylsulfonyl)-D-arginyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide |
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 | | 2TU | | Name: | 1-(beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one | | Formula: | C9 H12 N2 O5 S | | SMILES: | O=C1NC(=S)N(C=C1)C2OC(C(O)C2O)CO | | InChi: | InChI=1S/C9H12N2O5S/c12-3-4-6(14)7(15)8(16-4)11-2-1-5(13)10-9(11)17/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,17)/t4-,6-,7-,8-/m1/s1 | | Synonyms: | 2-thiouridine | | Definition date: | 2011-06-24 | | Last modified: | 2021-03-01 | | Identifier: | 1-(beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one |
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 | | ROF | | Name: | 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE | | Formula: | C17 H14 Cl2 F2 N2 O3 | | SMILES: | Clc3c(NC(=O)c2ccc(OC(F)F)c(OCC1CC1)c2)c(Cl)cnc3 | | InChi: | InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24) | | Synonyms: | ROFLUMILAST | | Definition date: | 2004-11-16 | | Last modified: | 2021-03-01 | | Identifier: | 3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide |
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 | | ROS | | Name: | N,N'-TETRAMETHYL-ROSAMINE | | Formula: | C23 H23 N2 O | | SMILES: | O2c1cc(ccc1C(=C3C2=CC(=[N+](/C)C)C=C3)c4ccccc4)N(C)C | | InChi: | InChI=1S/C23H23N2O/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16/h5-15H,1-4H3/q+1 | | Synonyms: | (6-DIMETHYLAMINO-9-PHENYL-XANTHEN-3-YLIDENE)-DIMETHYL-AMMONIUM | | Definition date: | 2000-05-22 | | Last modified: | 2021-03-01 | | Identifier: | N-[6-(dimethylamino)-9-phenyl-3H-xanthen-3-ylidene]-N-methylmethanaminium |
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 | | RPR | | Name: | 3-[(3'-AMINOMETHYL-BIPHENYL-4-CARBONYL)-AMINO]-2-(3-CARBAMIMIDOYL-BENZYL)-BUTYRIC ACID METHYL ESTER | | Formula: | C27 H30 N4 O3 | | SMILES: | O=C(OC)C(Cc1cc(C(=[N@H])N)ccc1)C(NC(=O)c3ccc(c2cccc(c2)CN)cc3)C | | InChi: | InChI=1S/C27H30N4O3/c1-17(24(27(33)34-2)15-18-5-3-8-23(13-18)25(29)30)31-26(32)21-11-9-20(10-12-21)22-7-4-6-19(14-22)16-28/h3-14,17,24H,15-16,28H2,1-2H3,(H3,29,30)(H,31,32)/t17-,24-/m1/s1 | | Synonyms: | RPR128515 | | Definition date: | 2000-05-22 | | Last modified: | 2021-03-01 | | Identifier: | methyl (2R,3R)-3-({[3'-(aminomethyl)biphenyl-4-yl]carbonyl}amino)-2-(3-carbamimidoylbenzyl)butanoate |
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 | | 2W2 | | Name: | N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid | | Formula: | C11 H20 N4 O6 | | SMILES: | O=C(O)C(NC(C(=O)O)CCC(=O)O)CCCNC(=[N@H])N | | InChi: | InChI=1S/C11H20N4O6/c12-11(13)14-5-1-2-6(9(18)19)15-7(10(20)21)3-4-8(16)17/h6-7,15H,1-5H2,(H,16,17)(H,18,19)(H,20,21)(H4,12,13,14)/t6-,7+/m0/s1 | | Synonyms: | Nopaline | | Definition date: | 2014-02-28 | | Last modified: | 2021-03-01 | | Release date: | 2014-10-22 | | Identifier: | N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid |
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 | | RR1 | | Name: | 5-(4,6-DIAMINO-[1,3,5]TRIAZIN-2-YLAMINO)-4-HYDROXY-3-(2-SULFO-PHENYLAZO)-NAPHTHALENE-2,7-DISULFONIC ACID | | Formula: | C19 H16 N8 O10 S3 | | SMILES: | O=S(=O)(O)c4ccccc4/N=N/c2c(O)c1c(cc(cc1cc2S(=O)(=O)O)S(=O)(=O)O)Nc3nc(nc(n3)N)N | | InChi: | InChI=1S/C19H16N8O10S3/c20-17-23-18(21)25-19(24-17)22-11-7-9(38(29,30)31)5-8-6-13(40(35,36)37)15(16(28)14(8)11)27-26-10-3-1-2-4-12(10)39(32,33)34/h1-7,28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H5,20,21,22,23,24,25)/b27-26+ | | Synonyms: | REACTIVE RED 1 DYE | | Definition date: | 2001-03-07 | | Last modified: | 2021-03-01 | | Identifier: | 5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(E)-(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid |
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 | | RR6 | | Name: | 3-HYDROXY-7-(4-{1-[2-HYDROXY-3-(2-HYDROXY-5-SULFO-PHENYLAZO)-BENZYL]-2-SULFO-ETHYLAMINO}-[1,2,5]TRIAZIN-2-YLAMINO)-2-(2-HYDROXY-5-SULFO-PHENYLAZO)-NAPTHALENE-1,8-DISULFONIC ACID | | Formula: | C35 H25 N9 O22 S6 | | SMILES: | O=S(=O)(O)c7cc(/N=N/c2c(O)c1ccc(c(c1cc2S(=O)(=O)O)S(=O)(=O)O)Nc3ncnc(n3)Nc4c(c6c(cc4)c(O)c(/N=N/c5cc(ccc5O)S(=O)(=O)O)c(c6)S(=O)(=O)O)S(=O)(=O)O)c(O)cc7 | | InChi: | InChI=1S/C35H25N9O22S6/c45-24-7-1-14(67(49,50)51)9-22(24)41-43-28-26(69(55,56)57)11-18-16(30(28)47)3-5-20(32(18)71(61,62)63)38-34-36-13-37-35(40-34)39-21-6-4-17-19(33(21)72(64,65)66)12-27(70(58,59)60)29(31(17)48)44-42-23-10-15(68(52,53)54)2-8-25(23)46/h1-13,45-48H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,36,37,38,39,40)/b43-41+,44-42+ | | Synonyms: | AZO-DYE RR6 HAPTEN | | Definition date: | 2000-07-14 | | Last modified: | 2021-03-01 | | Identifier: | 2,2'-(1,3,5-triazine-2,4-diyldiimino)bis{5-hydroxy-6-[(E)-(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-1,7-disulfonic acid} |
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 | | RRT | | Name: | (R)-RETRO-THIORPHAN | | Formula: | C12 H15 N O3 S | | SMILES: | O=C(O)CC(=O)NC(Cc1ccccc1)CS | | InChi: | InChI=1S/C12H15NO3S/c14-11(7-12(15)16)13-10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,14)(H,15,16)/t10-/m1/s1 | | Synonyms: | 3-{[(1R)-1-BENZYL-2-SULFANYLETHYL]AMINO}-3-OXOPROPANOIC ACID | | Definition date: | 2005-04-08 | | Last modified: | 2021-03-01 | | Identifier: | 3-{[(1R)-1-benzyl-2-sulfanylethyl]amino}-3-oxopropanoic acid |
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 | | RRX | | Name: | (3R)-beta,beta-caroten-3-ol | | Formula: | C40 H56 O | | SMILES: | OC2CC(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C)C)C)C(C)(C)C2)C | | InChi: | InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1 | | Synonyms: | beta-Cryptoxanthin | | Definition date: | 2014-05-01 | | Last modified: | 2021-03-01 | | Release date: | 2014-09-03 | | Identifier: | (3R)-beta,beta-caroten-3-ol |
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 | | 2YQ | | Name: | (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one | | Formula: | C19 H14 F2 N6 O | | SMILES: | Fc1ccc(cc1)C5Nc2c3c(cc(F)c2)C(=O)NN=C3C5c4ncnn4C | | InChi: | InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1 | | Synonyms: | Talazoparib | | Definition date: | 2014-05-13 | | Last modified: | 2021-03-01 | | Release date: | 2014-09-24 | | Identifier: | (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one |
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 | | 2Z4 | | Name: | benzyl [(1R)-1-({(1S,2S,3S)-1-benzyl-2-hydroxy-4-({(1S)-1-[(2-hydroxy-4-methoxybenzyl)carbamoyl]-2-methylpropyl}amino)-3-[(4-methoxybenzyl)amino]-4-oxobutyl}carbamoyl)-2,2-dimethylpropyl]carbamate | | Formula: | C46 H59 N5 O9 | | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(Cc2ccccc2)C(O)C(NCc3ccc(OC)cc3)C(=O)NC(C(=O)NCc4ccc(OC)cc4O)C(C)C)C(C)(C)C | | InChi: | InChI=1S/C46H59N5O9/c1-29(2)38(42(54)48-27-33-20-23-35(59-7)25-37(33)52)50-43(55)39(47-26-31-18-21-34(58-6)22-19-31)40(53)36(24-30-14-10-8-11-15-30)49-44(56)41(46(3,4)5)51-45(57)60-28-32-16-12-9-13-17-32/h8-23,25,29,36,38-41,47,52-53H,24,26-28H2,1-7H3,(H,48,54)(H,49,56)(H,50,55)(H,51,57)/t36-,38-,39+,40+,41+/m0/s1 | | Synonyms: | SDZ283-910 | | Definition date: | 2008-08-28 | | Last modified: | 2021-03-01 | | Identifier: | benzyl [(1S)-1-({(1S,2R,3R)-1-benzyl-2-hydroxy-4-({(1S)-1-[(2-hydroxy-4-methoxybenzyl)carbamoyl]-2-methylpropyl}amino)-3-[(4-methoxybenzyl)amino]-4-oxobutyl}carbamoyl)-2,2-dimethylpropyl]carbamate |
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 | | RTX | | Name: | 4-(2-chloro-10H-phenoxazin-10-yl)-N,N-diethylbutan-1-amine | | Formula: | C20 H25 Cl N2 O | | SMILES: | Clc2cc1N(c3c(Oc1cc2)cccc3)CCCCN(CC)CC | | InChi: | InChI=1S/C20H25ClN2O/c1-3-22(4-2)13-7-8-14-23-17-9-5-6-10-19(17)24-20-12-11-16(21)15-18(20)23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3 | | Synonyms: | 10-DEBC | | Definition date: | 2013-09-10 | | Last modified: | 2021-03-01 | | Release date: | 2014-02-26 | | Identifier: | 4-(2-chloro-10H-phenoxazin-10-yl)-N,N-diethylbutan-1-amine |
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 | | RUR | | Name: | [3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]ruthenium | | Formula: | C34 H36 N4 O4 Ru | | SMILES: | O=C(O)CCC1=C(C2=Cc7c(c(c6C=C8N3=C(C=C4C(=C(C5=CC1=N2[Ru]3(N45)n67)CCC(=O)O)C)C(=C8CC)C)C)CC)C | | InChi: | InChI=1S/C34H38N4O4.Ru/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25 | | Synonyms: | MESOPORPHYRIN IX CONTAINING RU | | Definition date: | 2010-03-23 | | Last modified: | 2021-03-01 | | Identifier: | [3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]ruthenium |
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 | | 325 | | Name: | N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide | | Formula: | C21 H16 F2 N4 O3 S | | SMILES: | O=S(=O)(Nc1ccc(F)c(c1F)C(=O)c3c2cc(cnc2nc3)c4cccnc4)CC | | InChi: | InChI=1S/C21H16F2N4O3S/c1-2-31(29,30)27-17-6-5-16(22)18(19(17)23)20(28)15-11-26-21-14(15)8-13(10-25-21)12-4-3-7-24-9-12/h3-11,27H,2H2,1H3,(H,25,26) | | Synonyms: | PLX3203 | | Definition date: | 2008-02-07 | | Last modified: | 2021-03-01 | | Identifier: | N-(2,4-difluoro-3-{[5-(pyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}phenyl)ethanesulfonamide |
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 | | RXT | | Name: | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile | | Formula: | C17 H18 N6 | | SMILES: | N#CCC(n1ncc(c1)c3ncnc2c3ccn2)C4CCCC4 | | InChi: | InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1 | | Synonyms: | Ruxolitinib | | Definition date: | 2014-07-31 | | Last modified: | 2021-03-01 | | Release date: | 2014-09-17 | | Identifier: | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile |
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 | | 7JD | | Name: | 6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one | | Formula: | C14 H9 F N2 O2 | | SMILES: | Oc1cc(cc2C(=O)NC=Nc12)c3ccc(F)cc3 | | InChi: | InChI=1S/C14H9FN2O2/c15-10-3-1-8(2-4-10)9-5-11-13(12(18)6-9)16-7-17-14(11)19/h1-7,18H,(H,16,17,19) | | Synonyms: | 6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one | | Definition date: | 2016-11-02 | | Last modified: | 2021-03-01 | | Release date: | 2017-11-22 | | Identifier: | 6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one |
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 | | 7JU | | Name: | 7-fluoranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one | | Formula: | C14 H8 F2 N2 O2 | | SMILES: | Oc1c(F)c(cc2C(=O)NC=Nc12)c3ccc(F)cc3 | | InChi: | InChI=1S/C14H8F2N2O2/c15-8-3-1-7(2-4-8)9-5-10-12(13(19)11(9)16)17-6-18-14(10)20/h1-6,19H,(H,17,18,20) | | Synonyms: | 7-fluoro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one | | Definition date: | 2016-11-02 | | Last modified: | 2021-03-01 | | Release date: | 2017-11-22 | | Identifier: | 7-fluoranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one |
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 | | 7JV | | Name: | 6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{H}-quinazolin-4-one | | Formula: | C16 H14 N2 O3 | | SMILES: | COCc1ccccc1c2cc(O)c3NC=NC(=O)c3c2 | | InChi: | InChI=1S/C16H14N2O3/c1-21-8-10-4-2-3-5-12(10)11-6-13-15(14(19)7-11)17-9-18-16(13)20/h2-7,9,19H,8H2,1H3,(H,17,18,20) | | Synonyms: | 8-hydroxy-6-[2-(methoxymethyl)phenyl]-3H-quinazolin-4-one | | Definition date: | 2016-11-02 | | Last modified: | 2021-03-01 | | Release date: | 2017-11-22 | | Identifier: | 6-[2-(methoxymethyl)phenyl]-8-oxidanyl-1~{H}-quinazolin-4-one |
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 | | RZX | | Name: | 2-[(R)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1H-benzimidazole | | Formula: | C18 H21 N3 O3 S | | SMILES: | O=S(c2nc1ccccc1n2)Cc3nccc(OCCCOC)c3C | | InChi: | InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)/t25-/m1/s1 | | Synonyms: | Rabeprazole | | Definition date: | 2010-11-09 | | Last modified: | 2021-03-01 | | Identifier: | 2-[(R)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1H-benzimidazole |
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 | | S02 | | Name: | PHOSPHORIC ACID MONO-[2-(4-{2-[4-(2-HYDROXY-ETHOXY)-CYCLOHEXYLIDENE]-ETHYLIDENE}-CYCLOHEXYLOXY) -ETHYL] ESTER | | Formula: | C18 H31 O7 P | | SMILES: | O=P(O)(O)OCCOC2CC/C(=C/C=C1CCC(OCCO)CC1)CC2 | | InChi: | InChI=1S/C18H31O7P/c19-11-12-23-17-7-3-15(4-8-17)1-2-16-5-9-18(10-6-16)24-13-14-25-26(20,21)22/h1-2,17-19H,3-14H2,(H2,20,21,22)/b15-1-,16-2-/t17-,18-/m1/s1 | | Synonyms: | STILBENEDIETHER NUCLEOTIDE LINKER | | Definition date: | 1999-08-18 | | Last modified: | 2021-03-01 | | Identifier: | 2-{[(1R,4Z)-4-{(2Z)-2-[(4R)-4-(2-hydroxyethoxy)cyclohexylidene]ethylidene}cyclohexyl]oxy}ethyl dihydrogen phosphate |
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 | | SFY | | Name: | 4-amino-N-(pyridin-2-yl)benzenesulfonamide | | Formula: | C11 H11 N3 O2 S | | SMILES: | O=S(=O)(Nc1ncccc1)c2ccc(N)cc2 | | InChi: | InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14) | | Synonyms: | Sulfapyridine | | Definition date: | 2012-11-09 | | Last modified: | 2021-03-01 | | Release date: | 2013-06-05 | | Identifier: | 4-amino-N-(pyridin-2-yl)benzenesulfonamide |
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 | | SGF | | Name: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-O-sulfo-beta-D-galactopyranoside | | Formula: | C24 H47 N O10 S | | SMILES: | O=S(=O)(O)OC1C(O)C(OC(OCC(N)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO | | InChi: | InChI=1S/C24H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-33-24-22(29)23(35-36(30,31)32)21(28)20(16-26)34-24/h14-15,18-24,26-29H,2-13,16-17,25H2,1H3,(H,30,31,32)/b15-14+/t18-,19+,20+,21-,22+,23-,24+/m0/s1 | | Synonyms: | Sphingosine-1-galactoside-3-sulfate | | Definition date: | 2012-05-11 | | Last modified: | 2021-03-01 | | Release date: | 2013-02-01 | | Identifier: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-O-sulfo-beta-D-galactopyranoside |
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 | | SH0 | | Name: | 3,3',3'',3'''-[(1R,2S,3S,4S,7S,8S,11S,12S,13S,16S,19S)-3,8,13,17-tetrakis(carboxylatomethyl)-8,13-dimethyl-1,2,3,4,7,8,11,12,13,16,19,20,22,24-tetradecahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoate | | Formula: | C42 H52 N4 O16 | | SMILES: | O=C(O)CCC1=C(C2=NC1CC5N=C(C=C4NC(=CC3NC(=C2)C(C)(C3CCC(=O)O)CC(=O)O)C(CC(=O)O)(C)C4CCC(=O)O)C(CC(=O)O)C5CCC(=O)O)CC(=O)O | | InChi: | InChI=1S/C42H52N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h14-16,19,21,23-26,30,45-46H,3-13,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b29-14-,31-15-,32-16-/t19-,21-,23+,24+,25+,26-,30+,41-,42-/m0/s1 | | Synonyms: | Sirohydrochlorin | | Definition date: | 2014-07-09 | | Last modified: | 2021-03-01 | | Release date: | 2014-07-16 | | Identifier: | 3,3',3'',3'''-[(1R,2S,3S,7S,8S,11S,12S,13S,19S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-1,2,3,7,8,11,12,13,19,20-decahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid |
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